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Butanedioic acid, mono[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6-dimethyl-9-(methyl-d3)-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester

General Information
Catalog: BLP-014013
CAS: 1316303-44-2
Molecular Formula: C19H25D3O8
Molecular Weight: 387.44
Chemical Structure
Butanedioic acid, mono[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6-dimethyl-9-(methyl-d3)-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester
Description Artesunate-[d3] is the labelled analogue of Artesunate, which is a derivative of Artemisinin.
Synonyms 1316303-44-2;Butanedioic acid, mono[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6-dimethyl-9-(methyl-d3)-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester;4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5-dimethyl-9-(trideuteriomethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-4-oxobutanoate;A936154;
IUPAC Name 4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5-dimethyl-9-(trideuteriomethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-4-oxobutanoate
Related CAS 88495-63-0 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O[C@H]1OC(=O)CCC(=O)O)O[C@@](CC3)(OO4)C)C
Canonical SMILES OC(CCC(O[C@@H]1O[C@@](O[C@](OO2)(CC[C@@]3([H])[C@@H](CC4)C)C)([H])[C@@]23[C@]4([H])[C@H]1C([2H])([2H])[2H])=O)=O
InChI InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/p-1/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1/i2D3
InChI Key FIHJKUPKCHIPAT-XJCJQZEVSA-M
Purity >95%
Solubility Soluble in Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly), Water
Appearance White Solid
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

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